SCHEMBL26028752

SCHEMBL26028752

CCCCOc1ccc(S(C)(=O)=O)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
CYP2D6 P10635 6/20 0.46
CYP3A4 P08684 5/20 0.46
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 2/20 0.42
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5700546 0.86 NQO1 (0.46) TSHRCA12CA1CA2CA7
SCHEMBL24069365 0.85 TSHR (0.47) TSHRCA12CA1CA2CA7
SCHEMBL13716166 0.85 GPR119 (0.36) TSHRCA12CA1CA2CA7
SCHEMBL25903141 0.82 TDP1 (0.47) TSHRNPC1RAB9AHTTLMNA
SCHEMBL12508082 0.78 NFE2L2 (0.49) CA12CA1CA2CA7CA9
SCHEMBL19215041 0.78 CA12 (0.47) TSHRCA12CA1CA2CA7
SCHEMBL18503860 0.77 ALDH1A1 (0.51) TSHRLMNAMAPTKMT2ASMN1; SMN2
SCHEMBL13075388 0.77 GPR119 (0.39) CA12CA1CA2CA7CA9
SCHEMBL24069360 0.76 HTT (0.45) TSHRCA12CA1CA2CA7
SCHEMBL12936190 0.76 GPR119 (0.40) SMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265096-A1 APOL1 INHIBITORS AND METHODS OF USE HERCULES CAPITAL, INC., AS AGENT 2023-08-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230265096-A1 APOL1 INHIBITORS AND METHODS OF USE APOL1, APOB, LDLR TSHR 2711/4885CA12 4408/4885CA1 4178/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.